N-[(5-bromothiophen-3-yl)methyl]-2-cyclopentyl-N-methylacetamide

C13H18BrNOS — CID 54983545

IUPACN-[(5-bromothiophen-3-yl)methyl]-2-cyclopentyl-N-methylacetamide
SMILESCN(Cc1csc(Br)c1)C(=O)CC1CCCC1
InChIInChI=1S/C13H18BrNOS/c1-15(8-11-6-12(14)17-9-11)13(16)7-10-4-2-3-5-10/h6,9-10H,2-5,7-8H2,1H3
InChIKeyADVKQLGVQUBXFI-UHFFFAOYSA-N
MW316.26 g/mol
LogP4.05
Rot. Bonds4

About N-[(5-bromothiophen-3-yl)methyl]-2-cyclopentyl-N-methylacetamide

N-[(5-bromothiophen-3-yl)methyl]-2-cyclopentyl-N-methylacetamide (PubChem CID 54983545) has the molecular formula C13H18BrNOS and a molecular weight of 316.26 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-2-cyclopentyl-N-methylacetamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-2-cyclopentyl-N-methylacetamide
PubChem CID54983545
Molecular FormulaC13H18BrNOS
Molecular Weight316.26 g/mol
Exact Mass315.03
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-2-cyclopentyl-N-methylacetamide
SMILESCN(Cc1csc(Br)c1)C(=O)CC1CCCC1
InChIInChI=1S/C13H18BrNOS/c1-15(8-11-6-12(14)17-9-11)13(16)7-10-4-2-3-5-10/h6,9-10H,2-5,7-8H2,1H3
InChIKeyADVKQLGVQUBXFI-UHFFFAOYSA-N
XLogP4.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.26
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-N-(thiophen-3-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 49717004
3-cyclopentyl-N-(thiophen-3-ylmethyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 49717017
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 78970946
N-[(5-bromothiophen-3-yl)methyl]-4,4-difluoro-N-methylcyclohexane-1-carboxamide
CID 81931443
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81931655
N-[(5-bromothiophen-3-yl)methyl]-3,3-difluoro-N-methylcyclopentane-1-carboxamide
CID 114094302
N-[(5-bromothiophen-3-yl)methyl]-3,3-difluoro-N-methylcyclohexane-1-carboxamide
CID 114226335
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115591039
2-cyclopentyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 51073284
2-cyclopent-2-en-1-yl-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 51073290
1-[(5-Bromothiophen-3-yl)methyl]piperidin-2-one
CID 105519717
1-[(2-Bromothiophen-3-yl)methyl]azecane-2,10-dione
CID 15890620

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-2-cyclopentyl-N-methylacetamide?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-2-cyclopentyl-N-methylacetamide (CID 54983545) is N-[(5-bromothiophen-3-yl)methyl]-2-cyclopentyl-N-methylacetamide.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-2-cyclopentyl-N-methylacetamide?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-2-cyclopentyl-N-methylacetamide is CN(Cc1csc(Br)c1)C(=O)CC1CCCC1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-2-cyclopentyl-N-methylacetamide?
The InChIKey is ADVKQLGVQUBXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNOS/c1-15(8-11-6-12(14)17-9-11)13(16)7-10-4-2-3-5-10/h6,9-10H,2-5,7-8H2,1H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-2-cyclopentyl-N-methylacetamide?
N-[(5-bromothiophen-3-yl)methyl]-2-cyclopentyl-N-methylacetamide has a molecular weight of 316.26 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-2-cyclopentyl-N-methylacetamide is sourced from PubChem (CID 54983545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).